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DocumentationIdentifier: MM80126
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80126 |
| SMILES |
CCC(=O)NC(C#N)C#N
|
| InChIKey |
SFHFCULUPRGJLV-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM62251
Similarity: 0.7607
Similarity to MM62251
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8647 |
| Dice metric | 0.8641 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44545
Similarity: 0.7576
Similarity to MM44545
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8704 |
| Dice metric | 0.8621 |
| MW: | 123.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64983
Similarity: 0.75
Similarity to MM64983
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8585 |
| Dice metric | 0.8571 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+91 more
